SCHEMBL6173532

SCHEMBL6173532

CCC(c1ccccc1)c1c(O)cc(CCC2CC2)oc1=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 10/20 0.48
VKORC1 Q9BQB6 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALB P02768 1/20 0.36
PCSK7 Q16549 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.35
ELANE P08246 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6172059 0.85 CYP2C9 (0.54) CYP2C9VKORC1MEN1KMT2AALDH1A1
SCHEMBL6174784 0.84 MEN1 (0.35) CYP2C9VKORC1MEN1KMT2A
SCHEMBL6173151 0.83 CYP2C9 (0.52) CYP2C9VKORC1MEN1KMT2AALDH1A1
Benzene SCHEMBL27347783 0.81 CYP2C9 (0.56) CYP2C9VKORC1MEN1KMT2AALDH1A1
SCHEMBL7477024 0.81 CYP2C9 (0.50) CYP2C9VKORC1MEN1KMT2AALDH1A1
SCHEMBL6173305 0.81 CYP2C9 (0.50) CYP2C9MAPTELANE
SCHEMBL6174757 0.80 CYP2C9 (0.52) CYP2C9VKORC1MEN1KMT2AALDH1A1
SCHEMBL6172943 0.80 CYP2C9 (0.49) CYP2C9VKORC1MEN1KMT2AALDH1A1
SCHEMBL6172240 0.79 CYP2C9 (0.53) CYP2C9VKORC1MEN1KMT2AALDH1A1
SCHEMBL6174622 0.78 CYP2C9 (0.61) CYP2C9VKORC1MEN1KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1203770-B1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases UPJOHN CO (US) 2005-03-09 EP claimed
EP-0668860-B1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES UPJOHN CO (US) 2002-09-11 EP claimed
EP-1203770-A1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases PHARMACIA & UPJOHN COMPANY (US) 2002-05-08 EP claimed
EP-0668860-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1995-08-30 EP claimed
WO-1994011361-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1994-05-26 WO claimed
EP-1203770-B1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases UPJOHN CO (US) 2005-03-09 EP disclosed
EP-1203770-A1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases PHARMACIA & UPJOHN COMPANY (US) 2002-05-08 EP disclosed
EP-0668860-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1995-08-30 EP disclosed
WO-1994011361-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1994-05-26 WO disclosed